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Albutoin

Cat No.:V5965 Purity: ≥98%
Albutoin (BAX 422Z) is an anticonvulsant (antiepileptic/antiseizure), a thiohycin analogue used in epilepsy research.
Albutoin
Albutoin Chemical Structure CAS No.: 830-89-7
Product category: New1
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
5mg
10mg
50mg
100mg
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Product Description
Albutoin (BAX 422Z) is an anticonvulsant (antiepileptic/antiseizure), a thiohycin analogue used in epilepsy research.
Albutoin (BAX 422Z) (CAS#: 830-89-7) is an anticonvulsant agent that is a thiohydantoin derivative. It has a molecular weight of 212.31 g/mol and a molecular formula of C10H16N2OS. Albutoin is structurally related to hydantoin derivatives and is used in research on seizure control and neuronal excitability. It has been investigated for the treatment of grand mal epilepsies. Albutoin is a research compound and is not approved for clinical use.
Biological Activity I Assay Protocols (From Reference)
Targets
Albutoin's mechanism of action is not fully understood but is believed to be similar to other hydantoin anticonvulsants. It is thought to modulate voltage-gated sodium channels or enhance GABAergic neurotransmission, stabilizing neuronal membranes and reducing neuronal excitability. By reducing abnormal neuronal firing, Albutoin can prevent the spread of seizure activity. Its mechanism of action is a subject of ongoing research.
ln Vitro
In vitro, Albutoin has been studied for its anticonvulsant activity. Its effects on neuronal excitability can be studied using electrophysiological techniques on cultured neurons. The compound's ability to modulate sodium channels or GABA receptors can be assessed. However, specific in vitro data, such as IC50 or EC50 values, are not detailed in standard product descriptions. Albutoin is a research compound used to study seizure control.
ln Vivo
In vivo, Albutoin has been investigated for the treatment of grand mal epilepsies. As an anticonvulsant, it is used in research to study seizure control and neuronal excitability. However, specific in vivo protocols and results are not detailed in standard product descriptions. Albutoin is a research compound and is not approved for clinical use.
Enzyme Assay
In vitro assays for Albutoin measure its effects on neuronal excitability. Electrophysiological techniques, such as patch-clamp, can be used to measure sodium currents or GABA currents in neurons. The compound's ability to modulate these currents is assessed. Receptor binding assays can be used to study its affinity for sodium channels or GABA receptors. These assays confirm the compound's mechanism of action.
Cell Assay
In vitro cell-based assays for Albutoin are used to study its effects on neuronal function. Neuronal cultures are treated with Albutoin, and the compound's effects on action potential firing are measured using multi-electrode arrays. The compound's ability to reduce neuronal excitability is assessed. These assays confirm the compound's anticonvulsant activity.
Animal Protocol
In vivo animal experiments for Albutoin are conducted in animal models of epilepsy. In a typical study, Albutoin is administered to animals, and its ability to prevent or reduce seizure activity is assessed using electroencephalography (EEG) or behavioral observation. These studies confirm the in vivo efficacy of Albutoin as an anticonvulsant.
ADME/Pharmacokinetics
Albutoin has a molecular weight of 212.31 g/mol and a molecular formula of C10H16N2OS. It has a CAS number of 830-89-7. It is a solid compound with a purity of ≥95%. For storage, it is recommended to keep the compound in a cool, dry place. Detailed pharmacokinetic properties such as absorption, distribution, metabolism, and excretion (ADME) have not been extensively characterized.
Toxicity/Toxicokinetics
Detailed toxicity data for Albutoin is not provided in standard product descriptions. As an anticonvulsant, it may have side effects similar to other hydantoin derivatives, such as dizziness, drowsiness, and gastrointestinal disturbances. As with all research chemicals, standard laboratory safety precautions should be followed when handling Albutoin. Its use is limited to research applications and it is not intended for human or veterinary use.
References

[1]. Electron microscope studies on enzyme activity and the isolation of thiohydantoin-induced myelin figures in rat liver. J Cell Biol. 1965;25(3):485-493.

[2]. Albutoin, a new thiohydantoin derivative for grand mal epilepsies. Comparison with diphenylhydantoin in a double-blind, controlled study. Neurology. 1967;17(2):162-165.

Additional Infomation
Butyryl-CoA is an oxygen- and nitrogen-containing organic compound whose function is related to α-amino acids.
Albutoin is a research compound and is not approved for any clinical or therapeutic use. It is an anticonvulsant agent that is a thiohydantoin derivative. Albutoin is structurally related to hydantoin derivatives and is used in research on seizure control and neuronal excitability. It has been investigated for the treatment of grand mal epilepsies. Albutoin is a valuable research tool for studying epilepsy and anticonvulsant mechanisms.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C10H16N2OS
Molecular Weight
212.31184
Exact Mass
212.098
CAS #
830-89-7
PubChem CID
3032361
Appearance
Light yellow to yellow solid powder
Density
1.12g/cm3
Boiling Point
275.2ºC at 760 mmHg
Flash Point
120.3ºC
Index of Refraction
1.558
LogP
1.088
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
4
Heavy Atom Count
14
Complexity
263
Defined Atom Stereocenter Count
0
SMILES
CC(C)CC1C(=O)N(C(=S)N1)CC=C
InChi Key
RATGSRSDPNECNO-UHFFFAOYSA-N
InChi Code
InChI=1S/C10H16N2OS/c1-4-5-12-9(13)8(6-7(2)3)11-10(12)14/h4,7-8H,1,5-6H2,2-3H3,(H,11,14)
Chemical Name
5-(2-methylpropyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
HS Tariff Code
2934.99.9001
Storage

Powder      -20°C    3 years

                     4°C     2 years

In solvent   -80°C    6 months

                  -20°C    1 month

Shipping Condition
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
Solubility Data
Solubility (In Vitro)
DMSO : ~250 mg/mL (~1177.52 mM)
Solubility (In Vivo)
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.

Injection Formulations
(e.g. IP/IV/IM/SC)
Injection Formulation 1: DMSO : Tween 80: Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution 50 μL Tween 80 850 μL Saline)
*Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution.
Injection Formulation 2: DMSO : PEG300Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO 400 μLPEG300 50 μL Tween 80 450 μL Saline)
Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO 900 μL Corn oil)
Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals).
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Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO 900 μL (20% SBE-β-CD in saline)]
*Preparation of 20% SBE-β-CD in Saline (4°C,1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution.
Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin 500 μL Saline)
Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO 100 μLPEG300 200 μL castor oil 650 μL Saline)
Injection Formulation 7: Ethanol : Cremophor : Saline = 10: 10 : 80 (i.e. 100 μL Ethanol 100 μL Cremophor 800 μL Saline)
Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline
Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH 900 μL Corn oil)
Injection Formulation 10: EtOH : PEG300Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH 400 μLPEG300 50 μL Tween 80 450 μL Saline)


Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium)
Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose
Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals).
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Oral Formulation 3: Dissolved in PEG400
Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose
Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose
Oral Formulation 6: Mixing with food powders


Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 4.7101 mL 23.5505 mL 47.1009 mL
5 mM 0.9420 mL 4.7101 mL 9.4202 mL
10 mM 0.4710 mL 2.3550 mL 4.7101 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.

Calculator

Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

  • Calculate the Mass of a compound required to prepare a solution of known volume and concentration
  • Calculate the Volume of solution required to dissolve a compound of known mass to a desired concentration
  • Calculate the Concentration of a solution resulting from a known mass of compound in a specific volume
An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
  • Enter 350.26 in the Molecular Weight (MW) box
  • Enter 10 in the Concentration box and choose the correct unit (mM)
  • Enter 5 in the Volume box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
  • Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
  • Enter 25 into the Concentration (End) box and select the correct unit (mM)
  • Enter 25 into the Volume (End) box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
Instructions to calculate molar mass (molecular weight) of a chemical compound:
  • To calculate molar mass of a chemical compound, please enter the chemical/molecular formula and click the “Calculate’ button.
Definitions of molecular mass, molecular weight, molar mass and molar weight:
  • Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
  • Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.
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Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

  • Enter the mass of the reagent and the desired reconstitution concentration as well as the correct units
  • Click the “Calculate” button
  • The answer appears in the Volume (to add to vial) box
In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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Calculation results

Working concentration mg/mL;

Method for preparing DMSO stock solution mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.

Method for preparing in vivo formulation:Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O,mix and clarify.

(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
             (2) Be sure to add the solvent(s) in order.

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